UCSF

ZINC67561136

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: 2-[[(1S)-1-(3-methyl-2-pyridyl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(1S)-1-(3-methyl-2-pyridyl)e…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 4.26 -94.73 3 7 0 116 381.479 5 ↓
Hi High (pH 8-9.5) 1.80 2.91 -68.07 2 7 -1 111 380.471 5 ↓
Mid Mid (pH 6-8) 1.80 4.73 -127.66 4 7 1 117 382.487 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.